3-(4-ethylanilino)-1-(4-phenylphenyl)propan-1-one

C23H23NO — CID 4097731

IUPAC3-(4-ethylanilino)-1-(4-phenylphenyl)propan-1-one
SMILESCCc1ccc(NCCC(=O)c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C23H23NO/c1-2-18-8-14-22(15-9-18)24-17-16-23(25)21-12-10-20(11-13-21)19-6-4-3-5-7-19/h3-15,24H,2,16-17H2,1H3
InChIKeyHLZUDTGIWQPOOQ-UHFFFAOYSA-N
MW329.44 g/mol
LogP5.60
Rot. Bonds7

About 3-(4-ethylanilino)-1-(4-phenylphenyl)propan-1-one

3-(4-ethylanilino)-1-(4-phenylphenyl)propan-1-one (PubChem CID 4097731) has the molecular formula C23H23NO and a molecular weight of 329.44 g/mol. Its IUPAC name is 3-(4-ethylanilino)-1-(4-phenylphenyl)propan-1-one.

Molecular Properties

Compound Name3-(4-ethylanilino)-1-(4-phenylphenyl)propan-1-one
PubChem CID4097731
Molecular FormulaC23H23NO
Molecular Weight329.44 g/mol
Exact Mass329.18
IUPAC Name3-(4-ethylanilino)-1-(4-phenylphenyl)propan-1-one
SMILESCCc1ccc(NCCC(=O)c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C23H23NO/c1-2-18-8-14-22(15-9-18)24-17-16-23(25)21-12-10-20(11-13-21)19-6-4-3-5-7-19/h3-15,24H,2,16-17H2,1H3
InChIKeyHLZUDTGIWQPOOQ-UHFFFAOYSA-N
XLogP5.60
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.44
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylanilino)-1-(4-phenylphenyl)propan-1-one?
The IUPAC name of 3-(4-ethylanilino)-1-(4-phenylphenyl)propan-1-one (CID 4097731) is 3-(4-ethylanilino)-1-(4-phenylphenyl)propan-1-one.
What is the SMILES notation for 3-(4-ethylanilino)-1-(4-phenylphenyl)propan-1-one?
The canonical SMILES for 3-(4-ethylanilino)-1-(4-phenylphenyl)propan-1-one is CCc1ccc(NCCC(=O)c2ccc(-c3ccccc3)cc2)cc1.
What is the InChIKey of 3-(4-ethylanilino)-1-(4-phenylphenyl)propan-1-one?
The InChIKey is HLZUDTGIWQPOOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO/c1-2-18-8-14-22(15-9-18)24-17-16-23(25)21-12-10-20(11-13-21)19-6-4-3-5-7-19/h3-15,24H,2,16-17H2,1H3.
What are the key properties of 3-(4-ethylanilino)-1-(4-phenylphenyl)propan-1-one?
3-(4-ethylanilino)-1-(4-phenylphenyl)propan-1-one has a molecular weight of 329.44 g/mol, XLogP of 5.60, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylanilino)-1-(4-phenylphenyl)propan-1-one is sourced from PubChem (CID 4097731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).